[gmx-users] restraint force and free enrgy code.

[sunhanzi at nibs.ac.cn]

Dear Everyone:
  
  I need to calculate the free energy change of restraining the ligand in the binding site. I wonder if or not the restraint force can be directly controlled by the free energy code, which means by different lambda values. I checked the manual of gromacs 4.5.4 but can not found any clue for that. But I do think someone mentioned that it can be done in some version of gromacs. Does anyone can tell me if it is true?
  
  Thanks a lot!



--

Best regards,

Hanzi Sun at HuangLab NIBS